5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

C7H7ClN4O3S — CID 14050097

IUPAC5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCOCc1ccn2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H7ClN4O3S/c1-15-4-5-2-3-12-6(9-5)10-7(11-12)16(8,13)14/h2-3H,4H2,1H3
InChIKeyLSDQKQSREQEYQX-UHFFFAOYSA-N
MW262.68 g/mol
LogP0.20
Rot. Bonds3

About 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride

5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (PubChem CID 14050097) has the molecular formula C7H7ClN4O3S and a molecular weight of 262.68 g/mol. Its IUPAC name is 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.

Molecular Properties

Compound Name5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
PubChem CID14050097
Molecular FormulaC7H7ClN4O3S
Molecular Weight262.68 g/mol
Exact Mass261.99
IUPAC Name5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
SMILESCOCc1ccn2nc(S(=O)(=O)Cl)nc2n1
InChIInChI=1S/C7H7ClN4O3S/c1-15-4-5-2-3-12-6(9-5)10-7(11-12)16(8,13)14/h2-3H,4H2,1H3
InChIKeyLSDQKQSREQEYQX-UHFFFAOYSA-N
XLogP0.20
TPSA86.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The IUPAC name of 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride (CID 14050097) is 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride.
What is the SMILES notation for 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The canonical SMILES for 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is COCc1ccn2nc(S(=O)(=O)Cl)nc2n1.
What is the InChIKey of 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
The InChIKey is LSDQKQSREQEYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN4O3S/c1-15-4-5-2-3-12-6(9-5)10-7(11-12)16(8,13)14/h2-3H,4H2,1H3.
What are the key properties of 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride?
5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride has a molecular weight of 262.68 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride is sourced from PubChem (CID 14050097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).